Abstract
The “usual” implementation of the unimolecular rate constant in RRKM theory treats nonlinear molecules as pseudo-diatomics and thus does not conserve total angular momentum. A three-dimensional model for conservation of total angular momentum for vibrator transition states in the K rotational quantum number either active or adiabatic is presented and a comparison made between this model and the “usual” one in the low-pressure limit for two different reactions. This showed that the three-dimensional model resulted in significantly larger rate constants when the K rotor was active, indicating the importance of conservation of total angular momentum.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
